1-Tert-butyl-3-(4-chlorobenzyl)-1H-pyrazol-5-amine
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Basic information
- Standard SMILES
CC(C)(C)n1nc(Cc2ccc(Cl)cc2)cc1N- InChIKey
WPIIXLCKDCWJAZ-UHFFFAOYSA-N- Molecular formula
- C14H18ClN3
- Average molar mass
- 263.76 g/mol
Names & identifiers
- Preferred name
- 1-Tert-butyl-3-(4-chlorobenzyl)-1H-pyrazol-5-amine
- IUPAC
- 1-tert-butyl-3-[(4-chlorophenyl)methyl]pyrazol-5-amine
Names & synonyms
SCHEMBL713537WPIIXLCKDCWJAZ-UHFFFAOYSA-N1-Tert-butyl-3-(4-chlorobenzyl)-1H-pyrazol-5-amine2-tert-butyl-5-(4-chloro-benzyl)-2H-pyrazole-3-ylamine
Database identifiers
- PubChem CID
- 57551173
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Related reactions
3 records
Compound notes
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